3-methylbutyl 6-(4-oxidanylidenechromen-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxylate

Systemtic Name: 3-methylbutyl 6-(4-oxidanylidenechromen-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxylate Openeye Name: isopentyl 6-(4-oxochromen-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxylate CAS Name: 6-(4-oxo-1-benzopyran-2-yl)-2,3-dihydro-1,4-benzodioxin-2-carboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 6-(4-oxochromen-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxylate Traditional Name: 6-(4-ketochromen-2-yl)-2,3-dihydro-1,4-benzodioxin-2-carboxylic acid isoamyl ester Formula: C23H22O6 MolecularWeight: 394.41718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1COC2=C(O1)C=CC(=C2)C3=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

CC(C)CCOC(=O)C1COC2=C(O1)C=CC(=C2)C3=CC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C23H22O6/c1-14(2)9-10-26-23(25)22-13-27-21-11-15(7-8-19(21)29-22)20-12-17(24)16-5-3-4-6-18(16)28-20/h3-8,11-12,14,22H,9-10,13H2,1-2H3